Name: IDO1 and HDAC1 Inhibitor
Rating: 5 (10 reviews)

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HIT ID:HIT212671481
Cas No:2227044-16-6
常用名:IDO1 and HDAC1 Inhibitor
IUPAC:N1-(2-aminophenyl)-N4-[2-({4-[(E)-N-(3-bromo-4-fluorophenyl)-N'-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl}amino)ethyl]benzene-1,4-dicarboxamide
IUPAC:N1-(2-aminophenyl)-N4-[2-({4-[(E)-N-(3-bromo-4-fluorophenyl)-N'-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl}amino)ethyl]benzene-1,4-dicarboxamide
InChI key:SVRNWBRVAJUUOX-UHFFFAOYSA-N

分子式:C25H22BrFN8O4
分子量:597.405
氢键供体数 (HBD):6
氢键受体数 (HBA):9
LogP:3.1669924
SMILES:Nc1ccccc1NC(=O)c1ccc(cc1)C(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N/O
SMILES:Nc1ccccc1NC(=O)c1ccc(cc1)C(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N/O

IDO1 and HDAC1 Inhibitor is a dual IDO1 and HDAC1 inhibitor (IC50s: 69.0 nM and 66.5 nM).

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